methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate

C11H15N3O3 — CID 115455097

IUPACmethyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2(CO)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-10(16)8-4-12-5-9(14-8)13-6-11(7-15)2-3-11/h4-5,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyQGLSBJHVQHSILR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.45
Rot. Bonds5

About methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate

methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate (PubChem CID 115455097) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
PubChem CID115455097
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2(CO)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-10(16)8-4-12-5-9(14-8)13-6-11(7-15)2-3-11/h4-5,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyQGLSBJHVQHSILR-UHFFFAOYSA-N
XLogP0.45
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]pyrazine-2-carboxylate
CID 126816380
6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyrazine-2-carboxamide
CID 133496605
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
CID 66455911
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate (CID 115455097) is methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCC2(CO)CC2)n1.
What is the InChIKey of methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate?
The InChIKey is QGLSBJHVQHSILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10(16)8-4-12-5-9(14-8)13-6-11(7-15)2-3-11/h4-5,15H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate?
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 115455097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).